DNA recognition by the first tail-to-tail linked distamycin-like oligopeptide dimers

Sequence-specific bidentate binding to double-stranded (ds)-DNA by 'tail-to-tail' linked dimeric, distamycin analogues is described; compared to their monomeric analogues, these dimers exhibit greater affinity and longer binding site size and open up a novel avenue in the design of minor groove binders that overcome the phasing problem.

Landslide Susceptible Locations in Western Ghats: Prediction through openModeller

Many shallow landslides are triggered by heavy rainfall on hill slopes resulting in enormous casualties and huge economic losses in mountainous regions. Hill slope failure usually occurs as soil resistance deteriorates in the presence of the acting stress developed due to a number of reasons such as increased soil moisture content, change in land use causing slope instability, etc. Landslides triggered by rainfall can possibly be foreseen in real time by jointly using rainfall intensity-duration and information related to land surface susceptibility. Terrain analysis applications using spatial data such as aspect, slope, flow direction, compound topographic index, etc. along with information derived from remotely sensed data such as land cover / land use maps permit us to quantify and characterise the physical processes governing the landslide occurrence phenomenon. In this work, the probable landslide prone areas are predicted using two different algorithms – GARP (Genetic Algorithm for Rule-set Prediction) and Support Vector Machine (SVM) in a free and open source software package - openModeller. Several environmental layers such as aspect, digital elevation data, flow accumulation, flow direction, slope, land cover, compound topographic index, and precipitation data were used in modelling. A comparison of the simulated outputs, validated by overlaying the actual landslide occurrence points showed 92% accuracy with GARP and 96% accuracy with SVM in predicting landslide prone areas considering precipitation in the wettest month whereas 91% and 94% accuracy were obtained from GARP and SVM considering precipitation in the wettest quarter of the year.

New Concepts for Three-Dimensional Shape Analysis

A new approach to machine representation and analysis of three-dimensional objects is presented. The representation, based on the notion of "skeleton" of an object leads to a scheme for comparing two given object views for shape relations. The objects are composed of long, thin, rectangular prisms joined at their ends. The input picture to the program is the digitized line drawing portraying the three-dimensional object. To compare two object views, two characteristic vertices called "cardinal point" and "end-cardinal point," occurring consistently at the bends and open ends of the object are detected. The skeletons are then obtained as a connected path passing through these points. The shape relationships between the objects are then obtained from the matching characteristics of their skeletons. The method explores the possibility of a more detailed and finer analysis leading to detection of features like symmetry, asymmetry and other shape properties of an object.

Demonstrating the Usefulness of CAELinux for Computer Aided Engineering using an Example of the Three Dimensional Reconstruction of a Pig Liver

CAELinux is a Linux distribution which is bundled with free software packages related to Computer Aided Engineering (CAE). The free software packages include software that can build a three dimensional solid model, programs that can mesh a geometry, software for carrying out Finite Element Analysis (FEA), programs that can carry out image processing etc. Present work has two goals: 1) To give a brief description of CAELinux 2) To demonstrate that CAELinux could be useful for Computer Aided Engineering, using an example of the three dimensional reconstruction of a pig liver from a stack of CT-scan images. One can note that instead of using CAELinux, using commercial software for reconstructing the liver would cost a lot of money. One can also note that CAELinux is a free and open source operating system and all software packages that are included in the operating system are also free. Hence one can conclude that CAELinux could be a very useful tool in application areas like surgical simulation which require three dimensional reconstructions of biological organs. Also, one can see that CAELinux could be a very useful tool for Computer Aided Engineering, in general.

Prediction of Shallow Landslide prone regions in Undulating Terrains

Genetic Algorithm for Rule-set Prediction (GARP) and Support Vector Machine (SVM) with free and open source software (FOSS) - Open Modeller were used to model the probable landslide occurrence points. Environmental layers such as aspect, digital elevation, flow accumulation, flow direction, slope, land cover, compound topographic index and precipitation have been used in modeling. Simulated output of these techniques is validated with the actual landslide occurrence points, which showed 92% (GARP) and 96% (SVM) accuracy considering precipitation in the wettest month and 91% and 94% accuracy considering precipitation in the wettest quarter of the year.

A Novel Power Allocation Scheme for Two-User GMAC with Finite Input Constellations

Constellation Constrained (CC) capacity regions of two-user Gaussian Multiple Access Channels (GMAC) have been recently reported, wherein an appropriate angle of rotation between the constellations of the two users is shown to enlarge the CC capacity region. We refer to such a scheme as the Constellation Rotation (CR) scheme. In this paper, we propose a novel scheme called the Constellation Power Allocation (CPA) scheme, wherein the instantaneous transmit power of the two users are varied by maintaining their average power constraints. We show that the CPA scheme offers CC sum capacities equal (at low SNR values) or close (at high SNR values) to those offered by the CR scheme with reduced decoding complexity for QAM constellations. We study the robustness of the CPA scheme for random phase offsets in the channel and unequal average power constraints for the two users. With random phase offsets in the channel, we show that the CC sum capacity offered by the CPA scheme is more than the CR scheme at high SNR values. With unequal average power constraints, we show that the CPA scheme provides maximum gain when the power levels are close, and the advantage diminishes with the increase in the power difference.

Conditional silencing of topoisomerase I gene of Mycobacterium tuberculosis validates its essentiality for cell survival

Topoisomerases are an important class of enzymes for regulating the DNA transaction processes. Mycobacterium tuberculosis (Mtb) is one of the most formidable pathogens also posing serious challenges for therapeutic interventions. The organism contains only one type IA topoisomerase (Rv3646c), offering an opportunity to test its potential as a candidate drug target. To validate the essentiality of M.tuberculosis topoisomerase I (TopoI(Mt)) for bacterial growth and survival, we have generated a conditionally regulated strain of topoI in Mtb. The conditional knockdown mutant exhibited delayed growth on agar plate. In liquid culture, the growth was drastically impaired when TopoI expression was suppressed. Additionally, novobiocin and isoniazid showed enhanced inhibitory potential against the conditional mutant. Analysis of the nucleoid revealed its altered architecture upon TopoI depletion. These studies establish the essentiality of TopoI for the M.tuberculosis growth and open up new avenues for targeting the enzyme.

PolyGLoT: A Polyhedral Loop Transformation Framework for a Graphical Dataflow Language

Polyhedral techniques for program transformation are now used in several proprietary and open source compilers. However, most of the research on polyhedral compilation has focused on imperative languages such as C, where the computation is specified in terms of statements with zero or more nested loops and other control structures around them. Graphical dataflow languages, where there is no notion of statements or a schedule specifying their relative execution order, have so far not been studied using a powerful transformation or optimization approach. The execution semantics and referential transparency of dataflow languages impose a different set of challenges. In this paper, we attempt to bridge this gap by presenting techniques that can be used to extract polyhedral representation from dataflow programs and to synthesize them from their equivalent polyhedral representation. We then describe PolyGLoT, a framework for automatic transformation of dataflow programs which we built using our techniques and other popular research tools such as Clan and Pluto. For the purpose of experimental evaluation, we used our tools to compile LabVIEW, one of the most widely used dataflow programming languages. Results show that dataflow programs transformed using our framework are able to outperform those compiled otherwise by up to a factor of seventeen, with a mean speed-up of 2.30x while running on an 8-core Intel system.

Regionalization of extreme rainfall in India

Regionalization of extreme rainfall is useful for various applications in hydro-meteorology. There is dearth of regionalization studies on extreme rainfall in India. In this perspective, a set of 25 regions that are homogeneous in 1-, 2-, 3-, 4- and 5-day extreme rainfall is delineated based on seasonality measure of extreme rainfall and location indicators (latitude, longitude and altitude) by using global fuzzy c-means (GFCM) cluster analysis. The regions are validated for homogeneity in L-moment framework. One of the applications of the regions is in arriving at quantile estimates of extreme rainfall at sparsely gauged/ungauged locations using options such as regional frequency analysis (RFA). The RFA involves use of rainfall-related information from gauged sites in a region as the basis to estimate quantiles of extreme rainfall for target locations that resemble the region in terms of rainfall characteristics. A procedure for RFA based on GFCM-delineated regions is presented and its effectiveness is evaluated by leave-one-out cross validation. Error in quantile estimates for ungauged sites is compared with that resulting from the use of region-of-influence (ROI) approach that forms site-specific regions exclusively for quantile estimation. Results indicate that error in quantile estimates based on GFCM regions and ROI are fairly close, and neither of them is consistent in yielding the least error over all the sites. The cluster analysis approach was effective in reducing the number of regions to be delineated for RFA.

Direct Observation of Thermal Equilibrium of Excited Triplet States of 9,10-Phenanthrenequinone. A Time-Resolved Resonance Raman Study

The photochemistry of aromatic ketones plays a key role in various physicochemical and biological processes, and solvent polarity can be used to tune their triplet state properties. Therefore, a comprehensive analysis of the conformational structure and the solvent polarity induced energy level reordering of the two lowest triplet states of 9,10-phenanthrenequinone (PQ) was carried out using nanosecond-time-resolved absorption (ns-TRA), time-resolved resonance Raman (TR3) spectroscopy, and time dependent-density functional theory (TD-DFT) studies. The ns-TRA of PQ in acetonitrile displays two bands in the visible range, and these two bands decay with similar lifetime at least at longer time scales (mu s). Interestingly, TR3 spectra of these two bands indicate that the kinetics are different at shorter time scales (ns), while at longer time scales they followed the kinetics of ns-TRA spectra. Therefore, we report a real-time observation of the thermal equilibrium between the two lowest triplet excited states of PQ assigned to n pi* and pi pi* of which the pi pi* triplet state is formed first through intersystem crossing. Despite the fact that these two states are energetically close and have a similar conformational structure supported by TD-DFT studies, the slow internal conversion (similar to 2 ns) between the T-2(1(3)n pi*) and T-1(1(3)pi pi*) triplet states indicates a barrier. Insights from the singlet excited states of PQ in protic solvents J. Chem. Phys. 2015, 142, 24305] suggest that the lowest n pi* and pi pi* triplet states should undergo hydrogen bond weakening and strengthening, respectively, relative to the ground state, and these mechanisms are substantiated by TD-DFT calculations. We also hypothesize that the different hydrogen bonding mechanisms exhibited by the two lowest singlet and triplet excited states of PQ could influence its ISC mechanism.

Designing Novel Sulphate-based Ceramic Materials as Insertion Host Compounds for Secondary Batteries

Rechargeable batteries have propelled the wireless revolution and automobiles market over the past 25 years. Developing better batteries with improved energy density demands unveiling of new cathode ceramic materials with suitable diffusion channels and open framework structure. In this pursuit of achieving higher energy density, one approach is to realize enhanced redox voltage of insertion of ceramic compounds. This can be accomplished by incorporating highly electronegative anions in the cathode ceramics. Building on this idea, recently various sulphate- based compounds have been reported as high voltage cathode materials. The current article highlights the use of sulphate (SO4) based cathodes to realize the highest ever Fe3+/Fe2+ redox potentials in Li-ion batteries (LiFeSO4F fluorosulphate: 3.9V vs Li/Li+) and Na-ion batteries (Na2Fe2(SO4)(3) polysulphate: 3.8V vs Na/Na+). These sulphate-based cathode ceramic compounds pave way for newer avenues to design better batteries for future applications.

White light emissive molecular siblings

The design and synthesis of two structurally close and complementarily fluorescent boron based molecular siblings 2 and 3 are reported. The luminescence properties of individual triads are modulated to complement each other by controlling the intramolecular energy transfer in 2 and 3. The binary mixture of 2 and 3 emits white-light.

High-resolution TEM characterization of ZnO core-shell nanowires for dye-sensitized solar cells

Recently ZnO nanowire films have been used in very promising and inexpensive dye-sensitized solar cells (DSSC). It was found that the performance of the devices can be enhanced by functionalising the nanowires with a thin metal oxide coating. This nm-scale shell is believed to tailor the electronic structure of the nanowire, and help the absorption of the dye. Core-shell ZnO nanowire structures are synthesised at low temperature (below 120°C) by consecutive hydrothermal growth steps. Different materials are investigated for the coating, including Mg, Al, Cs and Zr oxides. High resolution TEM is used to characterise the quality of both the nanowire core and the shell, and to monitor the thickness and the degree of crystallisation of the oxide coating. The interface between the nanowire core and the outer shell is investigated in order to understand the adhesion of the coating, and give valuable feedback for the synthesis process. Nanowire films are packaged into dye-sensitised solar cell prototypes; samples coated with ZrO2 and MgO show the largest enhancement in the photocurrent and open-circuit voltage and look very promising for further improvement. © 2010 IOP Publishing Ltd.

¿Se disuelve la indisolubilidad matrimonial? : consideraciones acerca del debate en torno al próximo Sínodo

Resumen: El artículo ofrece algunas reflexiones en torno a la delicada cuestión de un posible acceso a la comunión eucarística por parte de personas divorciadas en nueva unión civil. Se aborda, en primer lugar, la relación entre indisolubilidad matrimonial y comunión eucarística, considerada como un punto neurálgico en la discusión reciente. Partiendo de una importante afirmación de Evangelii Gaudium se ofrecen luego consideraciones acerca de la naturaleza medicinal de la eucaristía y, finalmente, algunas observaciones en relación con la teología de la gracia.

La pregunta detrás de la obra

Resumen: La poesía es minuciosa: celebra cada pequeño don que constantemente se ofrece; lo rescata, lo menciona. La poesía es también magnánima: canta los secretos vínculos que, en cada cosa, teje a todas en una sola ofrenda donde todo se reúne y alude. La poesía es sabia: pregunta y conoce al ser en sus profundidades, allí desde donde surge y se sostiene cuanto se celebra y canta por medio de la palabra poética; tiene afinidad con él, connaturalidad. La poesía, por fin, es esperanzada y abierta. Ella sabe que tiene un límite, pero que no es una clausura sino un umbral: aguarda y anhela la Palabra, vedada a la pronunciación humana, que sólo puede decirse por sí misma, aquella en la que todo, incluso el ser, tiene su consistencia. La poesía hace silencio y oye, convoca, anhela el Don que desciende y se corporiza. Hasta aquí llega el gran poeta, el hermano mayor. Entre los argentinos, quizás sea Jorge Luis Borges el que mejor adaptó el lenguaje para alcanzar este lugar, el más alto, el que lo torna a uno más cercano al misterio y, a la vez, el mejor testigo de la distancia. De estas materias, que son una sola, está hecha su poesía. Desde lo más frágil y pequeño hasta lo más inmenso y definitivo, pronunciado, encarnado. Por eso aquello de Von Balthasar: La resurrección de la carne da la razón a los poetas.